Geometry & MOs

Info

ID:

318556

PubChem CID:

126651886

Reduced:

F2O4N8C53H66 (1)

Stoich.:

A2B4C8D53E66 (1)

Weight, g/mol:

507.215806

ΔHf, kcal/mol:

-242.82

Dipole, Da:

6.53

IP(EA), eV:

 -8.05(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]2C[C@H]1C3=NC4=C(N3)C=C(C=C4)[C@H]5CC[C@@H](N5C6=CC(=C(C(=C6)F)N7CCCCC7)F)C8=CC9=C(C=C8)N=C(N9)[C@@H]1CC2CCCC2N1C(=O)OC(C)(C)C

DOS

IR

Vibrations